Geometry & MOs

Info

ID:	56625
PubChem CID:	17487236
Reduced:	ClS2N3O3C17H22 (1)
Stoich.:	AB2C3D3E17F22 (1)
Weight, g/mol:	395.184506
ΔH_f, kcal/mol:	-69.91
Dipole, Da:	8.09
IP(EA), eV:	-9.02(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC(C)CN(CN1C(=S)OC(=N1)C2=CC=CC=C2Cl)C3CCS(=O)(=O)C3

DOS

IR

Vibrations